N-[4-(2,6-ditert-butylphenyl)phenyl]-8-phenyldibenzofuran-1-amine

C38H37NO — CID 176759691

IUPACN-[4-(2,6-ditert-butylphenyl)phenyl]-8-phenyldibenzofuran-1-amine
SMILESCC(C)(C)c1cccc(C(C)(C)C)c1-c1ccc(Nc2cccc3oc4ccc(-c5ccccc5)cc4c23)cc1
InChIInChI=1S/C38H37NO/c1-37(2,3)30-14-10-15-31(38(4,5)6)35(30)26-18-21-28(22-19-26)39-32-16-11-17-34-36(32)29-24-27(20-23-33(29)40-34)25-12-8-7-9-13-25/h7-24,39H,1-6H3
InChIKeyHEUZKGVWUYKNMX-UHFFFAOYSA-N
MW523.72 g/mol
LogP11.26
Rot. Bonds4

About N-[4-(2,6-ditert-butylphenyl)phenyl]-8-phenyldibenzofuran-1-amine

N-[4-(2,6-ditert-butylphenyl)phenyl]-8-phenyldibenzofuran-1-amine (PubChem CID 176759691) has the molecular formula C38H37NO and a molecular weight of 523.72 g/mol. Its IUPAC name is N-[4-(2,6-ditert-butylphenyl)phenyl]-8-phenyldibenzofuran-1-amine.

Molecular Properties

Compound NameN-[4-(2,6-ditert-butylphenyl)phenyl]-8-phenyldibenzofuran-1-amine
PubChem CID176759691
Molecular FormulaC38H37NO
Molecular Weight523.72 g/mol
Exact Mass523.29
IUPAC NameN-[4-(2,6-ditert-butylphenyl)phenyl]-8-phenyldibenzofuran-1-amine
SMILESCC(C)(C)c1cccc(C(C)(C)C)c1-c1ccc(Nc2cccc3oc4ccc(-c5ccccc5)cc4c23)cc1
InChIInChI=1S/C38H37NO/c1-37(2,3)30-14-10-15-31(38(4,5)6)35(30)26-18-21-28(22-19-26)39-32-16-11-17-34-36(32)29-24-27(20-23-33(29)40-34)25-12-8-7-9-13-25/h7-24,39H,1-6H3
InChIKeyHEUZKGVWUYKNMX-UHFFFAOYSA-N
XLogP11.26
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.72
LogP ≤ 511.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[4-(2,6-ditert-butylphenyl)phenyl]-8-phenyldibenzofuran-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(8-tert-butyldibenzofuran-1-yl)-8-phenyldibenzofuran-1-amine
CID 176759764
8-phenyl-N-(3-phenylphenyl)dibenzofuran-1-amine
CID 176759717
N-(7-tert-butyldibenzofuran-1-yl)-8-phenyldibenzofuran-1-amine
CID 168759232
N-[3-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 163590855
8-phenyl-N-[2-(4-phenylnaphthalen-1-yl)phenyl]dibenzofuran-1-amine
CID 176760060
N-(9,9-dimethyl-5-phenylfluoren-2-yl)-8-phenyldibenzofuran-1-amine
CID 176760037
N-(4-naphthalen-2-ylphenyl)dibenzofuran-1-amine
CID 159380478
N-(2,4-diphenylphenyl)dibenzofuran-1-amine
CID 176844480
N-(4-phenanthren-2-ylphenyl)-7-phenyldibenzofuran-1-amine
CID 167397588
8-phenyl-N-(2'-phenyl-9,9'-spirobi[fluorene]-4-yl)dibenzofuran-1-amine
CID 176759708
5-[3-(9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-5-yl)phenyl]-18-phenyl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene
CID 118148546
N-[4-(2,6-ditert-butylphenyl)phenyl]-8-phenyl-N-[3-[9-(3-phenylphenyl)fluoren-9-yl]phenyl]dibenzofuran-1-amine
CID 176759722

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,6-ditert-butylphenyl)phenyl]-8-phenyldibenzofuran-1-amine?
The IUPAC name of N-[4-(2,6-ditert-butylphenyl)phenyl]-8-phenyldibenzofuran-1-amine (CID 176759691) is N-[4-(2,6-ditert-butylphenyl)phenyl]-8-phenyldibenzofuran-1-amine.
What is the SMILES notation for N-[4-(2,6-ditert-butylphenyl)phenyl]-8-phenyldibenzofuran-1-amine?
The canonical SMILES for N-[4-(2,6-ditert-butylphenyl)phenyl]-8-phenyldibenzofuran-1-amine is CC(C)(C)c1cccc(C(C)(C)C)c1-c1ccc(Nc2cccc3oc4ccc(-c5ccccc5)cc4c23)cc1.
What is the InChIKey of N-[4-(2,6-ditert-butylphenyl)phenyl]-8-phenyldibenzofuran-1-amine?
The InChIKey is HEUZKGVWUYKNMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H37NO/c1-37(2,3)30-14-10-15-31(38(4,5)6)35(30)26-18-21-28(22-19-26)39-32-16-11-17-34-36(32)29-24-27(20-23-33(29)40-34)25-12-8-7-9-13-25/h7-24,39H,1-6H3.
What are the key properties of N-[4-(2,6-ditert-butylphenyl)phenyl]-8-phenyldibenzofuran-1-amine?
N-[4-(2,6-ditert-butylphenyl)phenyl]-8-phenyldibenzofuran-1-amine has a molecular weight of 523.72 g/mol, XLogP of 11.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,6-ditert-butylphenyl)phenyl]-8-phenyldibenzofuran-1-amine is sourced from PubChem (CID 176759691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).